(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H29N5O4S/c1-32-20-8-6-19(18-21(20)33(30,31)28-12-3-2-4-13-28)7-9-22(29)26-14-16-27(17-15-26)23-24-10-5-11-25-23/h5-11,18H,2-4,12-17H2,1H3/b9-7+